1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Formula:C16H12N8O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide |
| MolecularFormula | C16H12N8O3S |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1-c1cccs1 |
| InChI | InChI=1S/C16H12N8O3S/c17-14-15(22-27-21-14)24-13(11-5-2-6-28-11)12(19-23-24)16(26)20-18-8-9-3-1-4-10(25)7-9/h1-8,25H,(H2,17,21)(H,20,26) |
| InChIK | GNAXFIQNKVAJOW-UHFFFAOYSA-N |
| TotalMolweight | 396.39 |
| Molweight | 396.39 |
| MonoisotopicMass | 396.075307 |
| CLogP | 3.1234 |
| CLogS | -2.831 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 291.25 |
| Relative PSA | 0.51365 |
| PolarSurfaceArea | 185.58 |
| Druglikeness | 3.5017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off